3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C13H15N3O2S — CID 29038629

IUPAC3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C13H15N3O2S/c1-10-12(14)3-2-4-13(10)19(17,18)16-9-11-5-7-15-8-6-11/h2-8,16H,9,14H2,1H3
InChIKeyVPIKFNZKGFIHDJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.45
Rot. Bonds4

About 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 29038629) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID29038629
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C13H15N3O2S/c1-10-12(14)3-2-4-13(10)19(17,18)16-9-11-5-7-15-8-6-11/h2-8,16H,9,14H2,1H3
InChIKeyVPIKFNZKGFIHDJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 29038629) is 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is VPIKFNZKGFIHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-12(14)3-2-4-13(10)19(17,18)16-9-11-5-7-15-8-6-11/h2-8,16H,9,14H2,1H3.
What are the key properties of 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 29038629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).